6-nitro-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H20N4O5/c25-19(22-10-8-21(9-11-22)13-15-4-2-1-3-5-15)14-23-17-7-6-16(24(27)28)12-18(17)29-20(23)26/h1-7,12H,8-11,13-14H2